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| CAS No.: | 6628-84-8 |
|---|---|
| Name: | 3-AMINO-2,4,6-TRIBROMOBENZOIC ACID |
| Molecular Structure: | |
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| Formula: | C7H4Br3NO2 |
| Molecular Weight: | 373.826 |
| Synonyms: | 2,4,6-Tribromo-3-aminobenzoicacid;3-Amino-2,4,6-tribromobenzoic acid;NSC 59732; |
| Density: | 2.446 g/cm3 |
| Melting Point: | 171.5-173.0 °C |
| Boiling Point: | 390.4 °C at 760 mmHg |
| Flash Point: | 189.9 °C |
| PSA: | 63.32000 |
| LogP: | 3.83570 |
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Specification
The Benzoicacid, 3-amino-2,4,6-tribromo-, with the CAS registry number 6628-84-8, is also known as 2,4,6-Tribromo-3-aminobenzoic acid. This chemical's molecular formula is C7H4Br3NO2 and molecular weight is 373.82. What's more, its systematic name is 3-Amino-2,4,6-tribromobenzoic acid and it belongs to the product category of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts.
Physical properties of Benzoicacid, 3-amino-2,4,6-tribromo- are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.41; (8)ACD/KOC (pH 7.4): 1.24; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 60.48 cm3; (15)Molar Volume: 152.7 cm3; (16)Polarizability: 23.97×10-24 cm3; (17)Surface Tension: 73 dyne/cm; (18)Density: 2.446 g/cm3; (19)Flash Point: 189.9 °C; (20)Enthalpy of Vaporization: 67.49 kJ/mol; (21)Boiling Point: 390.4 °C at 760 mmHg; (22)Vapour Pressure: 8.56E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(c(Br)cc(Br)c1N)C(=O)O
(2)InChI: InChI=1/C7H4Br3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)
(3)InChIKey: WXUPOMXKMSVGDH-UHFFFAOYSA-N